Ppnds
TL;DR: Ppnds (CAS 1021868-77-8) is a chemical compound with molecular formula C18H11N4Na4O14PS2 and molecular weight 693.9042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
PPNDS
tetrasodium;3-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonatooxymethyl)-2-pyridinyl]diazenyl]-7-nitronaphthalene-1,5-disulfonate
Also Known As: PPNDS, PPNDS tetrasodium, PPNDS (tetrasodium), Lopac-P-2738, Tox21_500937
Technical Specifications
| Molecular Formula | C18H11N4Na4O14PS2 |
| Molecular Weight | 693.9042 g/mol |
| XLogP | -11.44558 |
| Topological Polar Surface Area (TPSA) | 324.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 5 |
| Exact Mass | 693.9042 Da |
| Heavy Atoms | 43 |
| Complexity | 1170.0 |
| SMILES | CC1=C(C(=C(C(=N1)N=NC2=CC3=C(C=C(C=C3S(=O)(=O)[O-])[N+](=O)[O-])C(=C2)S(=O)(=O)[O-])COP(=O)([O-])[O-])C=O)O.[Na+].[Na+].[Na+].[Na+] |
| InChIKey | XHWIRFKQZFSILU-UHFFFAOYSA-J |
Chemical Property Profile of Ppnds
Property Insights of Ppnds
The XLogP value of -11.44558 indicates that Ppnds is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 324.0 Ų indicates high polarity, suggesting Ppnds may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ppnds has 1 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ppnds?
The CAS number of Ppnds is 1021868-77-8.
What is the molecular formula of Ppnds?
The molecular formula of Ppnds is C18H11N4Na4O14PS2.
What is the molecular weight of Ppnds?
The molecular weight of Ppnds is 693.9042 g/mol.
Where can I buy Ppnds?
You can request a quote for Ppnds directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ppnds?
Yes, CoreyChem provides custom synthesis services for Ppnds and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.